6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one

C7H5ClF2INO — CID 118838204

IUPAC6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(CCl)c(I)cc1C(F)F
InChIInChI=1S/C7H5ClF2INO/c8-2-5-4(11)1-3(6(9)10)7(13)12-5/h1,6H,2H2,(H,12,13)
InChIKeyXVINGXDNUDAEGY-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.66
Rot. Bonds2

About 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one

6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one (PubChem CID 118838204) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one
PubChem CID118838204
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESO=c1[nH]c(CCl)c(I)cc1C(F)F
InChIInChI=1S/C7H5ClF2INO/c8-2-5-4(11)1-3(6(9)10)7(13)12-5/h1,6H,2H2,(H,12,13)
InChIKeyXVINGXDNUDAEGY-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 90939917
5-chloro-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105465487
3-Chloromethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704061
2-(Difluoromethyl)-6-hydroxy-3-iodo-5-methylpyridine
CID 118809466
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxy-4-iodopyridine
CID 118810066
2-(Chloromethyl)-4-(difluoromethyl)-6-hydroxy-3-iodopyridine
CID 118843784
5-chloro-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130072320
5-chloro-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072331
5-chloro-6-(chloromethyl)-3-(difluoromethyl)-1H-pyridin-2-one
CID 130072481
5-chloro-3-(chloromethyl)-6-(difluoromethyl)-1H-pyridin-2-one
CID 130072491
4-chloro-6-(chloromethyl)-3-(difluoromethyl)-1H-pyridin-2-one
CID 130072499
6-(chloromethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079470

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one (CID 118838204) is 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one is O=c1[nH]c(CCl)c(I)cc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The InChIKey is XVINGXDNUDAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-2-5-4(11)1-3(6(9)10)7(13)12-5/h1,6H,2H2,(H,12,13).
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one has a molecular weight of 319.48 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118838204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).